SCHEMBL795998

SCHEMBL795998

Cc1ccnc(C(=O)OC2CC2)c1-c1nc(-c2nc(N)nc(N(C)c3ccccc3)n2)no1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.32
HCRTR2 O43614 11/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
DHFR P00374 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL796112 0.88 KDM4E (0.33) HCRTR1HCRTR2KMT2AL3MBTL1DHFR
SCHEMBL797207 0.84 KMT2A (0.34) HCRTR1HCRTR2KMT2AL3MBTL1KDM4E
SCHEMBL795997 0.83 L3MBTL1 (0.32) HCRTR1HCRTR2L3MBTL1FABP4FABP5
SCHEMBL796521 0.79 KDM4E (0.33) HCRTR1HCRTR2KMT2AL3MBTL1KDM4E
SCHEMBL795936 0.78 ALOX5AP (0.38) KMT2AKDM4EALDH1A1GAAHPGD
SCHEMBL796498 0.76 GRM5 (0.38) KMT2AL3MBTL1KDM4EALDH1A1GAA
SCHEMBL808341 0.75 PTGIR (0.34) HCRTR1HCRTR2KMT2AKDM4EALDH1A1
SCHEMBL796525 0.75 GRM5 (0.40) KMT2AL3MBTL1DHFRKDM4EALDH1A1
SCHEMBL796111 0.74 HCRTR1 (0.34) HCRTR1HCRTR2L3MBTL1
SCHEMBL795733 0.74 GRM5 (0.35) HCRTR1HCRTR2KDM4EALDH1A1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150025057-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 HCRTR1 537/4885HCRTR2 204/4885CHRM2 923/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.